3,4-bis(2,3-dicarboxyphenyl)-5-triphenylsilyl-phthalic acid

Systemtic Name: 3,4-bis(2,3-dicarboxyphenyl)-5-triphenylsilyl-phthalic acid Openeye Name: 3,4-bis(2,3-dicarboxyphenyl)-5-triphenylsilyl-phthalic acid CAS Name: 3,4-bis(2,3-dicarboxyphenyl)-5-triphenylsilylphthalic acid IUPAC Name: 3,4-bis(2,3-dicarboxyphenyl)-5-triphenylsilylphthalic acid Traditional Name: 3,4-bis(2,3-dicarboxyphenyl)-5-triphenylsilyl-phthalic acid Formula: C42H28O12Si MolecularWeight: 752.75002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(C(=C(C(=C4)C(=O)O)C(=O)O)C5=C(C(=CC=C5)C(=O)O)C(=O)O)C6=C(C(=CC=C6)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(C(=C(C(=C4)C(=O)O)C(=O)O)C5=C(C(=CC=C5)C(=O)O)C(=O)O)C6=C(C(=CC=C6)C(=O)O)C(=O)O

InChI

InChI=1S/C42H28O12Si/c43-37(44)28-20-10-18-26(32(28)40(49)50)34-31(55(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25)22-30(39(47)48)36(42(53)54)35(34)27-19-11-21-29(38(45)46)33(27)41(51)52/h1-22H,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)